SCHEMBL4374966

SCHEMBL4374966

O=C(O)CN1CCOCCOCCN(CC(=O)O)CCOCCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 1.00
▸ KDM4E B2RXH2 3/20 0.65
▸ ALOX15 P16050 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ GLA P06280 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 6/20 0.51
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6858111 1.00 HSD17B10 (1.00) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL20564592 0.98 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL3873222 0.98 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL15935 0.98 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL9193218 0.98 HSD17B10 (0.95) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL24368139 0.95 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL15572293 0.95 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL2910021 0.95 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
Hydrochloric Acid SCHEMBL1128463 0.95 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA
SCHEMBL15572644 0.95 HSD17B10 (0.91) HSD17B10KDM4EALOX15TSHRGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235227-B2 Paramagnetic particles that provide improved relaxivity BARNES-JEWISH HOSPITAL (US) 2007-06-26 — — US claimed
US-6869591-B2 Paramagnetic particles that provide improved relaxivity BARNES-JEWISH HOSPITAL (US) 2005-03-22 — — US claimed
US-20030215392-A1 Paramagnetic particles that provide improved relaxivity KEREOS, INC. 2003-11-20 — — US claimed
US-20030185760-A1 Paramagnetic particles that provide improved relaxivity KEREOS, INC. 2003-10-02 — — US claimed
US-4215000-A CROWN ETHER COMPLEXES; RAPID REACTION SHELL DEVELOPMENT COMPANY (US) 1980-07-29 — — US claimed
CN-115799614-A Secondary battery 珠海冠宇电池股份有限公司 2023-03-14 — — CN disclosed
US-9243031-B2 Complex-forming compounds STRATOXER(S) KFT. (HU) 2016-01-26 — — US disclosed
US-9243031-B2 Complex-forming compounds STRATOXER(S) KFT. (HU) 2016-01-26 — — US disclosed
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2014-11-20 — — US disclosed
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2014-11-20 — — US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 — — US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 — — WO disclosed
US-5162509-A Process for preparing expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-11-10 — — US disclosed
EP-0462206-A1 EXPANDED PORPHYRINS: LARGE PORPHYRIN-LIKE TRIPYRROLEDIMETHINE-DERIVED MACROCYCLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-12-27 — — EP disclosed
EP-0426824-A1 METHOD FOR THE PREPARATION OF ACTIVE INGREDIENTS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATING RADIOACTIVE ISOTOPES FROM LIVING ORGANISMS ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) 1991-05-15 — — EP disclosed
WO-1990014343-A1 METHOD FOR THE PREPARATION OF ACTIVE INGREDIENTS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATING RADIOACTIVE ISOTOPES FROM LIVING ORGANISMS ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) 1990-11-29 — — WO disclosed
WO-1990010633-A1 EXPANDED PORPHYRINS: LARGE PORPHYRIN-LIKE TRIPYRROLEDIMETHINE-DERIVED MACROCYCLES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-09-20 — — WO disclosed
US-4935498-A Expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1990-06-19 — — US disclosed
US-4215000-A CROWN ETHER COMPLEXES; RAPID REACTION SHELL DEVELOPMENT COMPANY (US) 1980-07-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 HSD17B10 3512/4885KDM4E 2225/4885ALOX15 1960/4885
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS F2, CYP2F1, CYP4F2 HSD17B10 498/4885KDM4E 4486/4885ALOX15 784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback